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Predicted properties of NaCaF3

  • L. L. Boyer
  • , M. J. Mehl
  • , W. N. Mei
  • , Chun Gang Duan
  • , J. W. Flocken
  • , R. A. Guenther
  • , J. R. Hardy
  • , H. T. Stokes
  • , P. J. Edwardson
  • Naval Research Laboratory
  • University of Nebraska Omaha
  • University of Nebraska-Lincoln
  • Brigham Young University
  • Mission Research Corporation

科研成果: 书/报告/会议事项章节会议稿件同行评审

摘要

More than a decade ago computer simulations based on Gordon-Kirn potentials suggested that NaCaF3 would be a ferroelectric compound if it could be formed experimentally. Recent attempts to form thin films of NaCaF3 using pulsed-laser deposition have prompted us to carry out further theoretical studies of this material. Here we apply the self-consistent atomic deformation method to calculate electronic, structural and vibrational properties of NaCaF3 and the constituent compounds NaF and CaF2.

源语言英语
主期刊名Fundamental Physics of Ferroelectrics 2000
主期刊副标题Aspen Center for Physics Winter Workshop
编辑Ronald E. Cohen, Richard A. Mewaldt
出版商American Institute of Physics Inc.
364-371
页数8
ISBN(电子版)1563969599
DOI
出版状态已出版 - 12 9月 2000
已对外发布
活动Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000 - Aspen, 美国
期限: 13 2月 200020 2月 2000

出版系列

姓名AIP Conference Proceedings
535
ISSN(印刷版)0094-243X
ISSN(电子版)1551-7616

会议

会议Aspen Center for Physics Winter Workshop on Fundamental Physics of Ferroelectrics 2000
国家/地区美国
Aspen
时期13/02/0020/02/00

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